5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide

C16H23N5O2 — CID 137049119

IUPAC5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C16H23N5O2/c1-5-7-20(8-6-2)15(23)13-10-17-21(12(13)4)16-18-11(3)9-14(22)19-16/h9-10H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyIJZUOIOCBAWQRZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.83
Rot. Bonds6

About 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide

5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide (PubChem CID 137049119) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide
PubChem CID137049119
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C16H23N5O2/c1-5-7-20(8-6-2)15(23)13-10-17-21(12(13)4)16-18-11(3)9-14(22)19-16/h9-10H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyIJZUOIOCBAWQRZ-UHFFFAOYSA-N
XLogP1.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]butanenitrile
CID 137049660
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
N-cyclopentyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
N-cyclopentyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035926
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide (CID 137049119) is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide is CCCN(CCC)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide?
The InChIKey is IJZUOIOCBAWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-7-20(8-6-2)15(23)13-10-17-21(12(13)4)16-18-11(3)9-14(22)19-16/h9-10H,5-8H2,1-4H3,(H,18,19,22).
What are the key properties of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide?
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 137049119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).